SCHEMBL599174

SCHEMBL599174

O=C(O)c1ccc(Cn2cncn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.70
HDAC6 Q9UBN7 2/20 0.70
CYP19A1 P11511 6/20 0.64
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
NR4A1 P22736 1/20 0.47
APEX1 P27695 1/20 0.47
APOBEC3A P31941 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6309539 0.85 HDAC1 (0.68) HDAC1HDAC6CYP19A1KDM4EALDH1A1
SCHEMBL17159812 0.84 CYP19A1 (0.80) HDAC1HDAC6CYP19A1
SCHEMBL3639750 0.81 HDAC1 (0.73) HDAC1HDAC6CYP19A1ALDH1A1POLB
SCHEMBL305970 0.81 HDAC1 (0.68) HDAC1HDAC6CYP19A1GAAMAPT
SCHEMBL3235365 0.80 CYP19A1 (0.69) HDAC1HDAC6CYP19A1
SCHEMBL307542 0.79 CYP19A1 (0.67) HDAC1HDAC6CYP19A1ALDH1A1
SCHEMBL31249943 0.79 HDAC1 (0.60) HDAC1HDAC6CYP19A1MAPT
SCHEMBL31481029 0.79 HDAC1 (0.60) HDAC1HDAC6CYP19A1MAPT
SCHEMBL10066395 0.79 HDAC1 (0.60) HDAC1HDAC6CYP19A1ALDH1A1
SCHEMBL2917482 0.78 CYP19A1 (1.00) HDAC1HDAC6CYP19A1MAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391617-B1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2015-11-11 EP disclosed
CN-102369196-B Azetidines as histamine h3 receptor antagonists EVOTEC NEUROSCIENCES GMBH 2015-05-20 CN disclosed
US-8912176-B2 Azetidines as histamine H3 receptor antagonists EVOTEC AG (DE) 2014-12-16 US disclosed
CN-102369196-A Azetidines as histamine h3 receptor antagonists EVOTEC NEUROSCIENCES GMBH 2012-03-07 CN disclosed
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2012-02-16 US disclosed
EP-2391617-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-12-07 EP disclosed
WO-2010086403-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-08-05 WO disclosed
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 HDAC1 17/4885HDAC6 89/4885CYP19A1 2286/4885
US-20120040952-A1 AZETIDINES AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH3, HRH2, HRH1 HDAC1 1113/4885HDAC6 2807/4885CYP19A1 1988/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 HDAC1 51/4885HDAC6 264/4885CYP19A1 993/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 HDAC1 50/4885HDAC6 299/4885CYP19A1 999/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.